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RV-1729

CAT: 0931-T28627-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28627-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1293915-42-0
Target
Others, PI3K
Related Pathways
Others, PI3K/Akt/mTOR signaling
Bioactivity
RV-1729, a phosphatidylinositol-4,5-bisphosphate 3-kinase (PI3K) inhibitor, is used potentially for the treatment of asthma.
Smiles
NC1=C2C(=NN(CC=3N(CC4=C(Cl)C=CC=C4)C(=O)C=5C(N3)=CC=CC5C#CCCCC(N(CCOC)CCOC)=O)C2=NC=N1)C6=CC(O)=CC=C6
Molecular Formula
C39H39ClN8O5
Molecular Weight
735.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RV-1729
CAS Number1293915-42-0
PubChem CID52913198
IUPAC Name6-[2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-5-yl]-N,N-bis(2-methoxyethyl)hex-5-ynamide
Molecular FormulaC39H39ClN8O5
Molecular Weight735.2
XLogP4.2
Topological Polar Surface Area161
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count53
Formal Charge0
Complexity1320
SMILES
COCCN(CCOC)C(=O)CCCC#CC1=C2C(=CC=C1)N=C(N(C2=O)CC3=CC=CC=C3Cl)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N
InChI
InChI=1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)
InChIKey
UBLOHCIYTDRGJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RV-1729
CAS: 1293915-42-0
CID: 52913198
Formula: C39H39ClN8O5
MW: 735.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight735.2
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass734.2731941
Monoisotopic Mass734.2731941
Topological Polar Surface Area161 Ų
Heavy Atom Count53
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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